SCHEMBL7022264

SCHEMBL7022264

COC(=O)c1cccc2oc(-c3ccc([N+](=O)[O-])cc3)nc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.65
MMP2 P08253 4/20 0.53
MMP9 P14780 4/20 0.53
MMP8 P22894 4/20 0.53
MMP13 P45452 4/20 0.53
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
ALDH1A1 P00352 4/20 0.50
MAPT P10636 4/20 0.50
KDM4E B2RXH2 2/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HTR3A P46098 3/20 0.46
LMNA P02545 1/20 0.44
CASP3 P42574 1/20 0.44
PTGS2 P35354 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8666363 0.97 TOP2A (0.64) TOP2AMMP2MMP9MMP8MMP13
SCHEMBL17929366 0.95 TOP2A (0.74) TOP2AMMP2MMP9MMP8MMP13
SCHEMBL8376598 0.87 TOP2A (0.51) TOP2AMMP2MMP9MMP8MMP13
SCHEMBL205623 0.87 MMP2 (0.59) TOP2AMMP2MMP9MMP8MMP13
SCHEMBL208169 0.84 PARP1 (0.57) TOP2AMMP2MMP9MMP8MMP13
SCHEMBL206174 0.84 TOP2A (0.72) TOP2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL17929365 0.84 TOP2A (0.72) TOP2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7434524 0.84 TOP2A (0.88) TOP2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL143232 0.83 TOP2A (0.70) TOP2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2954779 0.83 TOP2A (0.70) TOP2ANPC1RAB9ASMN1; SMN2ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0897915-B1 Quinazolinone compounds as chemotherapeutic agents UNIV NEWCASTLE VENTURES LTD (GB) 2003-01-22 EP disclosed
EP-0879820-B1 Benzamide analogues, useful as PARP (ADP-Ribosyltransferase, ADPRT) DNA repair enzyme inhibitors UNIV NEWCASTLE VENTURES LTD (GB) 2001-12-12 EP disclosed
US-6316455-B1 Method of improving the effectiveness of a cytotoxic drug or radiotherapy using a quinazolinone compound NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 2001-11-13 US disclosed
US-6015827-A Benzoxazole-4-carboxamides and their use in inhibiting poly (adp-ribose) polymerase activity and improving cytotoxic effectiveness of cytotoxic drugs or radiotherapy NEWCASTLE UNIVERSITY VENTURES LIMITED 2000-01-18 US disclosed
EP-0897915-A1 QUINAZOLINONE CONPOUNDS AS CHEMOTHERAPEUTIC AGENTS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1999-02-24 EP disclosed
US-5756510-A POTENTIATE EFFECTS OF CYTOTOXIC DRUGS OR RADIOTHERAPY NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1998-05-26 US disclosed
EP-0749415-A1 BENZAMIDE ANALOGS, USEFUL AS PARP (ADP-RIBOSYLTRANSFERASE, ADPRT) DNA REPAIR ENZYME INHIBITORS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1996-12-27 EP disclosed
WO-1995024379-A1 BENZAMIDE ANALOGS, USEFUL AS PARP (ADP-RIBOSYLTRANSFERASE, ADPRT) DNA REPAIR ENZYME INHIBITORS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1995-09-14 WO disclosed